AG000PK3

1197294-80-6 | 1-Piperazinecarboxylic acid, 4-(4-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester

AG000PK3

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CAS Number	1197294-80-6
Catalog Number	AG000PK3(AGN-PC-09PZPU)
Chemical Name	1-Piperazinecarboxylic acid, 4-(4-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate
InChI	InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-10-11(15)4-5-16-12/h4-5,10H,6-9H2,1-3H3
InChI Key	WVPSXULRTJKBMJ-UHFFFAOYSA-N
MDL Number	MFCD13195778
Molecular Formula	C14H20BrN3O2
Molecular Weight	342.2315
SMILES	O=C(N1CCN(C2=NC=CC(Br)=C2)CC1)OC(C)(C)C
Synonyms	TERT-BUTYL 4-(4-BROMOPYRIDIN-2-YL)PIPERAZINE-1-CARBOXYLATE, 1197294-80-6, WVPSXULRTJKBMJ-UHFFFAOYSA-N, SCHEMBL901264, ACMC-209a40, CTK4B1464, DTXSID20682408, KS-00000PZ0, 4-(4-Bromopyridin-2-yl)piperazine, ANW-17374, MFCD13195778, ZINC40456701, AKOS015835337, AK-90669, DA-47419, DS-17083, AJ-103315, TR-034369, 4CH-011701, FT-0737307, ST24025931, Z8119, A-5351, I13-353, 1-Piperazinecarboxylic acid, 4-(4-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester, C14H20BrN3O2, Tert-Butyl4-(4-bromopyridin-2-yl)piperazine-1-carboxylate,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	341.074g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	342.237g/mol
Monoisotopic Mass	341.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	45.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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